CID 22725241

3-(1-benzofuran-2-carbonyl)pyridine

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C14H9NO2/c16-14(11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)17-13/h1-9H
InChIKey
DOLCUKYSDPPKSM-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl(pyridin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.06332 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 145.6
[M+Na]+ 246.05254 155.7
[M-H]- 222.05604 153.4
[M+NH4]+ 241.09714 163.8
[M+K]+ 262.02648 152.9
[M+H-H2O]+ 206.06058 138.2
[M+HCOO]- 268.06152 169.5
[M+CH3COO]- 282.07717 159.8
[M+Na-2H]- 244.03799 153.8
[M]+ 223.06277 148.7
[M]- 223.06387 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.